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Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield

Описание

Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.1021/acs.chemmater.1c02725

Аннотация: The dependence of photoluminescence quantum yield (PLQY) on the crystal structure of existing zero-dimensional ns2 metal halides is analyzed with the help of principal component analysis and random forest methods. The primary role of the distance between metal ions in different compounds is revealed, and the influence of other struПоказать полностьюctural features such as metal-halogen distance and the distortion of metal-halogen polyhedrons are quantified. Accordingly, the two previously unknown Sb3+-based zero-dimensional metal halides were synthesized to verify the obtained model. Experimental studies of the two compounds demonstrated good agreement with the predictions, and the PLQY of (C10H16N)2SbCl5 is found to be 96.5%. Via machine learning analysis, we demonstrate that concentration quenching is the main factor that determines PLQY for all s2 ion metal halides, which will accelerate the discovery of new luminescence metal halides. © 2022 American Chemical Society

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Издание

Журнал: Chemistry of Materials

Выпуск журнала: Vol. 34, Is. 2

Номера страниц: 537-546

ISSN журнала: 08974756

Издатель: American Chemical Society

Персоны

  • Molokeev M.S. (Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation, Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation)
  • Su B. (State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, China)
  • Aleksandrovsky A.S. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation, Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation)
  • Golovnev N.N. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
  • Plyaskin M.E. (Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
  • Xia Z. (State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, China, School of Physics and Optoelectronics, South China University of Technology, Guangzhou, 510641, China)

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